Information card for entry 4322350

Structure parameters

• Formula: C4 H13 Cu1.5 N O8 P2
• Calculated formula: C3.999 H12.997 Cu1.5 N O8 P2
• Title of publication: Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
• Authors of publication: Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5061 - 5066
• a: 7.484 ± 0.0012 Å
• b: 8.032 ± 0.003 Å
• c: 10.007 ± 0.002 Å
• α: 111.68 ± 0.02°
• β: 96.188 ± 0.014°
• γ: 96.97 ± 0.02°
• Cell volume: 547.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1523
• Weighted residual factors for significantly intense reflections: 0.1432
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No